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16fabe83ae
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Merge branch 'develop' into kokkos-unit-testing
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2024-07-27 03:27:35 -04:00 |
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7396426963
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Merge pull request #4183 from alphataubio/spica-kk
Add Kokkos version of spica pair and angle styles
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2024-07-26 22:45:47 -04:00 |
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2a99b9957d
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simplify and shorten charmmfsw example. add reference logs.
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2024-07-26 19:34:23 -04:00 |
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e7d338573f
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Merge branch 'develop' into spica-kk
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2024-07-26 19:10:46 -04:00 |
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cabde6549e
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add backward compatibility with inputs created before the rename of SDK to SPICA
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2024-07-26 19:08:59 -04:00 |
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1014cd1e0e
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Merge pull request #4211 from megmcca/kk_hybrid_topo_a-d-i
Port hybrid angle, dihedral, improper topology styles to Kokkos
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2024-07-26 18:31:19 -04:00 |
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e28de32a77
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update docs, kk accel style
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2024-07-26 13:06:17 -06:00 |
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e317c18e1e
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whitespace
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2024-07-26 12:57:22 -06:00 |
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ce42418efc
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Merge branch 'lammps:develop' into kk_hybrid_topo_a-d-i
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2024-07-26 12:56:27 -06:00 |
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590c7dcf8f
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Merge branch 'lammps:develop' into spica-kk
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2024-07-25 13:54:44 -04:00 |
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90291a9b3a
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Merge pull request #4237 from Yi-FanLi/pimd_langevin_lj
fix pimd/langevin: improve usage of lj reduced units
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2024-07-24 18:58:12 -04:00 |
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fbd37bd5e9
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Merge pull request #4235 from akohlmey/collected-small-fixes
LAMMPS GUI improvements
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2024-07-24 00:04:24 -04:00 |
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61c0001286
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Merge pull request #4239 from lammps/occasional-neighbor-bug-fix
Bug fix for determining when an occasional neighbor list needs rebuilding
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2024-07-23 22:37:51 -04:00 |
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992b279b3a
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Merge branch 'develop' into pimd_langevin_lj
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2024-07-23 21:34:30 -04:00 |
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eaf875187c
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Fix bug in GPU/CPU overlap
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2024-07-23 19:47:26 -04:00 |
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ce0e513d8c
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Remove unused function
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2024-07-23 17:42:23 -06:00 |
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8bba2d12ec
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Fix bug in GPU/CPU overlap
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2024-07-23 17:41:48 -06:00 |
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c1c8525f4b
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fix typo in comment
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2024-07-23 19:03:43 -04:00 |
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91931f0ea2
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
# Conflicts:
# doc/src/Tools.rst
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2024-07-23 17:04:36 -04:00 |
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afbcbc2dd6
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Merge pull request #4238 from akohlmey/remove-lammps-shell
Remove lammps-shell tool as it has been superseded by LAMMPS-GUI
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2024-07-23 14:58:40 -04:00 |
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0210341489
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whitespace
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2024-07-23 05:09:33 -04:00 |
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b459d0c9b9
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apply clang-format
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2024-07-22 23:58:10 -04:00 |
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ed3ab86ba7
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typo
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2024-07-22 18:57:53 -04:00 |
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d0528f7f02
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Removing more obsolete args from nlist build_one()
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2024-07-22 16:45:51 -06:00 |
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572c511830
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sanity check that occasionsal list is assigned to an NPair class
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2024-07-22 14:37:13 -06:00 |
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c6b7143863
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whitespace around comment
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2024-07-22 14:12:52 -06:00 |
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445251d569
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simplify logic for checking whether occasional neight list needs to be rebuilt
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2024-07-22 14:11:04 -06:00 |
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b551a8197f
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remove extra iteration
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2024-07-22 10:57:49 -06:00 |
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409e795027
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remove extra iteration
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2024-07-22 10:45:31 -06:00 |
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9fd21fa065
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Remove lammps-shell tool as it has been superseded by LAMMPS-GUI
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2024-07-22 06:43:10 -04:00 |
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70ee5495a2
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mention dump_modify binary for VTK style dumps
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2024-07-22 06:14:31 -04:00 |
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1f14f36708
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step patch level version
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2024-07-21 19:11:01 -04:00 |
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c05b184cca
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update documentation for file viewer feature
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2024-07-21 19:10:15 -04:00 |
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7dc0ace48f
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file viewer can be called from File menu or context menu in editor if word under cursor is a file
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2024-07-21 18:37:06 -04:00 |
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97ffabda0e
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add (text) file viewer class
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2024-07-21 18:36:20 -04:00 |
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c689cea7d8
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initialize in constructor rather than header
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2024-07-20 23:48:39 -04:00 |
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9413bb825f
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match lj/spica/coul/long as close as possible to lj/cut/coul/long
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2024-07-20 23:25:46 -04:00 |
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49ead6be10
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update doc
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2024-07-20 22:46:06 -04:00 |
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ce0fd7dcb7
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initialize lj parameters to 1
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2024-07-20 22:34:27 -04:00 |
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063d5d2fcd
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keep entries in roughly alphabetical order
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2024-07-20 03:35:04 -04:00 |
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cf4654d9cf
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spelling
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2024-07-18 19:07:59 -04:00 |
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3017630c01
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2024-07-18 18:40:22 -04:00 |
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1ed6e153b6
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Merge pull request #4214 from jtclemm/rheo
New multiphase fluids package
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2024-07-18 18:38:51 -04:00 |
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1c99d7f813
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bugfix for extracting 2d-data with lammps_pair_extract()
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2024-07-18 13:37:04 -04:00 |
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517681eb1e
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avoid passing uninitialized data
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2024-07-18 13:23:20 -04:00 |
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3b022e86db
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add extract_pair_dimension and extract_pair for fortran module
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2024-07-18 07:39:15 -04:00 |
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bb005e1858
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k_cut_ljsq and k_cut_coulsq
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2024-07-18 04:24:40 -04:00 |
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23f37e6f63
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minor fixes
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2024-07-18 03:53:44 -04:00 |
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992987eb6a
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fix formatting to make diff easier
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2024-07-18 00:27:35 -04:00 |
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85beac7107
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compatibility with Qt-5.12 and Ubuntu 20.04LTS
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2024-07-18 00:16:12 -04:00 |
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